SCHEMBL2140449

SCHEMBL2140449

CC(NC(=O)CCc1c[nH]c2ccccc12)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HCRTR1 O43613 1/20 0.44
HPGD P15428 2/20 0.43
RECQL P46063 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2140441 1.00 MAPT (0.52) MAPTALDH1A1KDM4EL3MBTL1TRPV1
SCHEMBL2136030 0.86 MAPT (0.50) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL2136026 0.86 MAPT (0.50) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL21823847 0.86 MAPT (0.52) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL17240426 0.84 MAPT (0.50) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL17240425 0.84 MAPT (0.50) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL2140953 0.82 CACNA1I (0.55) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL2140958 0.82 CACNA1I (0.55) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL2140922 0.81 MAPT (0.50) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL2134130 0.81 MAPT (0.50) MAPTALDH1A1KDM4EL3MBTL1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H MAPT 2691/4885ALDH1A1 2895/4885KDM4E 837/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H MAPT 2659/4885ALDH1A1 2882/4885KDM4E 830/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.